4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine

C18H16N2 — CID 36690291

IUPAC4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine
SMILESc1ccc(C2=Nc3ccccc3NC3=C2CCC3)cc1
InChIInChI=1S/C18H16N2/c1-2-7-13(8-3-1)18-14-9-6-12-15(14)19-16-10-4-5-11-17(16)20-18/h1-5,7-8,10-11,19H,6,9,12H2
InChIKeyOFIOARUZVSVHPV-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.67
Rot. Bonds1

About 4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine

4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine (PubChem CID 36690291) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine.

Molecular Properties

Compound Name4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine
PubChem CID36690291
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine
SMILESc1ccc(C2=Nc3ccccc3NC3=C2CCC3)cc1
InChIInChI=1S/C18H16N2/c1-2-7-13(8-3-1)18-14-9-6-12-15(14)19-16-10-4-5-11-17(16)20-18/h1-5,7-8,10-11,19H,6,9,12H2
InChIKeyOFIOARUZVSVHPV-UHFFFAOYSA-N
XLogP4.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine?
The IUPAC name of 4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine (CID 36690291) is 4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine.
What is the SMILES notation for 4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine?
The canonical SMILES for 4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine is c1ccc(C2=Nc3ccccc3NC3=C2CCC3)cc1.
What is the InChIKey of 4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine?
The InChIKey is OFIOARUZVSVHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-7-13(8-3-1)18-14-9-6-12-15(14)19-16-10-4-5-11-17(16)20-18/h1-5,7-8,10-11,19H,6,9,12H2.
What are the key properties of 4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine?
4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine has a molecular weight of 260.34 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine is sourced from PubChem (CID 36690291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).